UCSF

ZINC38587891

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.08 1.46 -43.1 4 9 1 114 331.356 7
Hi High (pH 8-9.5) -0.08 -0.06 -38.12 2 9 -1 114 329.34 6
Hi High (pH 8-9.5) -0.08 -0.82 -106.95 1 9 -2 116 328.332 6
Mid Mid (pH 6-8) -0.08 0.69 -14.34 3 9 0 112 330.348 7
Mid Mid (pH 6-8) -0.08 0.68 -28.34 3 9 0 116 330.348 7
Lo Low (pH 4.5-6) -0.08 0.98 -38.83 4 9 1 114 331.356 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.